Bicarbonate

Bicarbonate

SCHEMBL6441900

C=C.CC(OC(=O)O)C(F)(F)F.O=C(O)O

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL701889 0.93 TSHR (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12095053 0.93 TSHR (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
Bicarbonate SCHEMBL6439508 0.86
SCHEMBL29043273 0.78 ALDH1A1 (0.48)
SCHEMBL6439504 0.77
SCHEMBL16754719 0.76 TSHR (0.31)
SCHEMBL12095052 0.75 RORC (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL701888 0.75 RORC (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17322700 0.74 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL700476 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823744-B1 Ionically conductive polymeric gel electrolyte and solid battery containing the same MITSUI CHEMICALS INC (JP) 2005-10-12 EP disclosed
US-5925283-A HIGH IONIC CONDUCTIVITY AND HIGH SOLID STRENGTH; CROSSLINKED POLYMER MATRIX, ELECTROLYTIC SALT, AND A NONAQUEOUS ELECTROLYTIC SOLUTION WHICH CONTAINS AT LEAST ONE HALOGEN-SUBSTITUTED CARBONIC ESTER MITSUI CHEMICALS, INC. (JP) 1999-07-20 US disclosed
EP-0823744-A2 Ionically conductive polymeric gel electrolyte and solid battery containing the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-02-11 EP disclosed